SCHEMBL14488100

SCHEMBL14488100

O=C(NC(Cc1ccccc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.55
CTSL P07711 6/20 0.54
CTSB P07858 6/20 0.54
CTSS P25774 3/20 0.54
CTSK P43235 3/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
TYR P14679 1/20 0.52
CTRB1 P17538 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5689118 1.00 TACR1 (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL17039822 1.00 TACR1 (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8208600 0.95 CTSB (0.56) TACR1CTSLCTSBCTSSCTSK
SCHEMBL11301054 0.90 CASP1 (0.50) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10753165 0.90 CTSL (0.51) TACR1CTSLCTSBCTSSCTSK
SCHEMBL22657970 0.89 CASP1 (0.60) CASP1
SCHEMBL22657972 0.89 CASP1 (0.60) CASP1
SCHEMBL356447 0.89 CTSK (0.53) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL9044348 0.89 ALDH1A1 (0.47) TACR1CTSLCTSBCTSSCTSK
SCHEMBL13715882 0.89 CTSL (0.55) CTSLCTSBCTSSCTSKCASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 EP disclosed
EP-2870137-B1 POLYMORPHS OF N-[(R)-1-[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-2-(4-ETHOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE KALVISTA PHARMACEUTICALS LTD (GB) 2018-05-16 EP disclosed
US-9512065-B2 Polymorphs of N-[(R)-1-[(S)-1-(4-aminomethyl-benzylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-(4-ethoxy-phenyl)-ethyl]-benzamide hydrochloride KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-12-06 US disclosed
US-9234000-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-01-12 US disclosed
EP-2729443-B1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-11-25 EP disclosed
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-08-13 US disclosed
US-20150191421-A1 POLYMORPHS OF N-[(R)-1-[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-2-(4-ETHOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-07-09 US disclosed
US-9051249-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-06-09 US disclosed
EP-2870137-A1 POLYMORPHS OF N-[(R)-1 -[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOY L]-2-(4-E THOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE Kalvista Pharmaceuticals Limited (GB) 2015-05-13 EP disclosed
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-07-31 US disclosed
EP-2729443-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2014-05-14 EP disclosed
WO-2014006414-A1 POLYMORPHS OF|N-[(R)-1 -[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOY L]-2-(4-E|THOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-01-09 WO disclosed
WO-2013005045-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2013-01-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150191421-A1 POLYMORPHS OF N-[(R)-1-[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-2-(4-ETHOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE SCN1A, SCN1B, BBC3 TACR1 202/4885CTSL 1338/4885CTSB 1051/4885
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 TACR1 857/4885CTSL 276/4885CTSB 207/4885
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 TACR1 857/4885CTSL 276/4885CTSB 207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.